CID 218077

40199-26-6

Structural Information

Molecular Formula
C25H35ClN2S2
SMILES
CCCCCCCCCCCCSC(=NC1=CN=CC=C1)SCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C25H35ClN2S2/c1-2-3-4-5-6-7-8-9-10-11-19-29-25(28-24-13-12-18-27-20-24)30-21-22-14-16-23(26)17-15-22/h12-18,20H,2-11,19,21H2,1H3
InChIKey
KNVLRWVBMPFZSQ-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methylsulfanyl]-1-dodecylsulfanyl-N-pyridin-3-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.19302 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.20030 208.4
[M+Na]+ 485.18224 212.1
[M-H]- 461.18574 212.6
[M+NH4]+ 480.22684 217.8
[M+K]+ 501.15618 202.2
[M+H-H2O]+ 445.19028 198.9
[M+HCOO]- 507.19122 214.4
[M+CH3COO]- 521.20687 234.4
[M+Na-2H]- 483.16769 205.4
[M]+ 462.19247 216.4
[M]- 462.19357 216.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.